SCHEMBL7929790

SCHEMBL7929790

Nc1ccc(C(=O)NN=Cc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
NPC1 O15118 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
KMT2A Q03164 9/20 0.74
MEN1 O00255 8/20 0.74
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA4 P22748 1/20 0.69
CA9 Q16790 1/20 0.69
ESRRG P62508 2/20 0.63
KDM4E B2RXH2 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HDAC3 O15379 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
NCOR2 Q9Y618 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20299131 1.00 RAB9A (1.00) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL13568982 0.92 RAB9A (0.87) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL30529940 0.91 RAB9A (0.83) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2830919 0.88 RAB9A (0.81) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL711755 0.88 RAB9A (0.81) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL711754 0.88 RAB9A (0.81) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL12305546 0.87 RAB9A (0.77) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL13568878 0.87 RAB9A (0.97) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL8253424 0.85 RAB9A (0.77) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1129157 0.85 RAB9A (0.77) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190336610-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-11-07 US disclosed
EP-3558383-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES Gubra ApS (DK) 2019-10-30 EP disclosed
WO-2018115462-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2018-06-28 WO disclosed
CN-1302290-A Selective anti-mycobacterial preparations, method for producing the same and pharmaceutical compositions INST ORCH SINTEZA URAL OTDEL R (RU) 2001-07-04 CN disclosed
EP-1081131-A1 SELECTIVE ANTI-MYCOBACTERIAL PREPARATIONS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS Institut Organicheskogo Sinteza Uralskogo Otdeleniya Rossiiskoi Akademii Nauck (RU) 2001-03-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190336610-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES IAPP, GCG, VIP RAB9A 3872/4885NPC1 2223/4885SMN1; SMN2 4657/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.